CID 154644243

2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7HCl3FN3
SMILES
C1=C2C(=C(C(=N1)Cl)F)N=C(N=C2Cl)Cl
InChI
InChI=1S/C7HCl3FN3/c8-5-2-1-12-6(9)3(11)4(2)13-7(10)14-5/h1H
InChIKey
ILTXDPMYCUSDQV-UHFFFAOYSA-N
Compound name
2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

250.92201 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.929286 140.5
[M+Na]+ 273.911228 154.4
[M-H]- 249.914734 138.3
[M+NH4]+ 268.955833 156.5
[M+K]+ 289.885168 148.0
[M+H-H2O]+ 233.919270 133.1
[M+HCOO]- 295.920211 144.9
[M+CH3COO]- 309.935861 152.3
[M+Na-2H]- 271.896676 147.0
[M]+ 250.92146142 143.0
[M]- 250.92255858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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